2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylcyclohexyl)guanidine

C19H29N5 — CID 111256767

IUPAC2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylcyclohexyl)guanidine
SMILESC/N=C(\NCCn1c(C)nc2ccccc21)NC1CCC(C)CC1
InChIInChI=1S/C19H29N5/c1-14-8-10-16(11-9-14)23-19(20-3)21-12-13-24-15(2)22-17-6-4-5-7-18(17)24/h4-7,14,16H,8-13H2,1-3H3,(H2,20,21,23)
InChIKeyPQVNYCDDVHMFIZ-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.09
Rot. Bonds4

About 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylcyclohexyl)guanidine

2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylcyclohexyl)guanidine (PubChem CID 111256767) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylcyclohexyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylcyclohexyl)guanidine
PubChem CID111256767
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylcyclohexyl)guanidine
SMILESC/N=C(\NCCn1c(C)nc2ccccc21)NC1CCC(C)CC1
InChIInChI=1S/C19H29N5/c1-14-8-10-16(11-9-14)23-19(20-3)21-12-13-24-15(2)22-17-6-4-5-7-18(17)24/h4-7,14,16H,8-13H2,1-3H3,(H2,20,21,23)
InChIKeyPQVNYCDDVHMFIZ-UHFFFAOYSA-N
XLogP3.09
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318625
1-cyclohexyl-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 110958689
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111137509
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide
CID 111178831
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylpentyl)guanidine
CID 111942807
1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 110975119
1-butan-2-yl-2-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 110944738
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111245028
1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 47238303
1-[(4-chlorophenyl)methyl]-2-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 111131144
N-[2-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111352828
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylcyclohexyl)guanidine?
The IUPAC name of 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylcyclohexyl)guanidine (CID 111256767) is 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylcyclohexyl)guanidine.
What is the SMILES notation for 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylcyclohexyl)guanidine?
The canonical SMILES for 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylcyclohexyl)guanidine is C/N=C(\NCCn1c(C)nc2ccccc21)NC1CCC(C)CC1.
What is the InChIKey of 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylcyclohexyl)guanidine?
The InChIKey is PQVNYCDDVHMFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-14-8-10-16(11-9-14)23-19(20-3)21-12-13-24-15(2)22-17-6-4-5-7-18(17)24/h4-7,14,16H,8-13H2,1-3H3,(H2,20,21,23).
What are the key properties of 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylcyclohexyl)guanidine?
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylcyclohexyl)guanidine has a molecular weight of 327.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylcyclohexyl)guanidine is sourced from PubChem (CID 111256767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).